UCSF

ZINC12307473

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2008 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.93 6.7 -52.51 2 5 1 65 343.357 6
Lo Low (pH 4.5-6) 1.93 7.41 -112.43 3 5 2 66 344.365 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )